2,3-dipropyl-5-(3,4,5-trifluorophenyl)imidazol-4-amine

C15H18F3N3 — CID 63050525

IUPAC2,3-dipropyl-5-(3,4,5-trifluorophenyl)imidazol-4-amine
SMILESCCCc1nc(-c2cc(F)c(F)c(F)c2)c(N)n1CCC
InChIInChI=1S/C15H18F3N3/c1-3-5-12-20-14(15(19)21(12)6-4-2)9-7-10(16)13(18)11(17)8-9/h7-8H,3-6,19H2,1-2H3
InChIKeyWHRNBSBCQIIMQH-UHFFFAOYSA-N
MW297.32 g/mol
LogP3.91
Rot. Bonds5

About 2,3-dipropyl-5-(3,4,5-trifluorophenyl)imidazol-4-amine

2,3-dipropyl-5-(3,4,5-trifluorophenyl)imidazol-4-amine (PubChem CID 63050525) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is 2,3-dipropyl-5-(3,4,5-trifluorophenyl)imidazol-4-amine.

Molecular Properties

Compound Name2,3-dipropyl-5-(3,4,5-trifluorophenyl)imidazol-4-amine
PubChem CID63050525
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC Name2,3-dipropyl-5-(3,4,5-trifluorophenyl)imidazol-4-amine
SMILESCCCc1nc(-c2cc(F)c(F)c(F)c2)c(N)n1CCC
InChIInChI=1S/C15H18F3N3/c1-3-5-12-20-14(15(19)21(12)6-4-2)9-7-10(16)13(18)11(17)8-9/h7-8H,3-6,19H2,1-2H3
InChIKeyWHRNBSBCQIIMQH-UHFFFAOYSA-N
XLogP3.91
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-cyclopropyl-2-propyl-5-(3,4,5-trifluorophenyl)imidazol-4-amine
CID 63050859
5-(4-chloro-3-fluorophenyl)-3-ethyl-2-propylimidazol-4-amine
CID 62219752
5-(4-bromo-3-methylphenyl)-2,3-dipropylimidazol-4-amine
CID 66479273
5-(4-ethoxyphenyl)-2,3-dipropylimidazol-4-amine
CID 62219228
5-(3-chloro-5-fluorophenyl)-2-ethyl-3-propylimidazol-4-amine
CID 114454434
5-(3-cyclopropylphenyl)-2,3-dipropylimidazol-4-amine
CID 79973607
5-(4-bromo-3-fluorophenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine
CID 81441852
5-(3-fluoro-4-methylphenyl)-3-prop-2-enyl-2-propylimidazol-4-amine
CID 63645020
3-butyl-5-(4-ethylphenyl)-2-propylimidazol-4-amine
CID 63468177
3-butyl-5-(3,4-difluorophenyl)-2-ethylimidazol-4-amine
CID 62219554
5-(4-fluorophenyl)-3-methyl-2-propylimidazol-4-amine
CID 62220284
3-tert-butyl-5-(3,5-difluorophenyl)-2-propylimidazol-4-amine
CID 106531916

Frequently Asked Questions

What is the IUPAC name of 2,3-dipropyl-5-(3,4,5-trifluorophenyl)imidazol-4-amine?
The IUPAC name of 2,3-dipropyl-5-(3,4,5-trifluorophenyl)imidazol-4-amine (CID 63050525) is 2,3-dipropyl-5-(3,4,5-trifluorophenyl)imidazol-4-amine.
What is the SMILES notation for 2,3-dipropyl-5-(3,4,5-trifluorophenyl)imidazol-4-amine?
The canonical SMILES for 2,3-dipropyl-5-(3,4,5-trifluorophenyl)imidazol-4-amine is CCCc1nc(-c2cc(F)c(F)c(F)c2)c(N)n1CCC.
What is the InChIKey of 2,3-dipropyl-5-(3,4,5-trifluorophenyl)imidazol-4-amine?
The InChIKey is WHRNBSBCQIIMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c1-3-5-12-20-14(15(19)21(12)6-4-2)9-7-10(16)13(18)11(17)8-9/h7-8H,3-6,19H2,1-2H3.
What are the key properties of 2,3-dipropyl-5-(3,4,5-trifluorophenyl)imidazol-4-amine?
2,3-dipropyl-5-(3,4,5-trifluorophenyl)imidazol-4-amine has a molecular weight of 297.32 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dipropyl-5-(3,4,5-trifluorophenyl)imidazol-4-amine is sourced from PubChem (CID 63050525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).